N-[4-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]phenyl]ethanamide

Systemtic Name: N-[4-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]phenyl]acetamide CAS Name: N-[4-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]phenyl]acetamide IUPAC Name: N-[4-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]phenyl]acetamide Formula: C17H15BrN3O2S+ MolecularWeight: 405.2889

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C17H14BrN3O2S/c1-11(22)19-13-3-5-15(6-4-13)24-10-14-8-17(23)21-9-12(18)2-7-16(21)20-14/h2-9H,10H2,1H3,(H,19,22)/p+1